⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27548341 | 0.64 | — | — | |
| SCHEMBL16570977 | 0.60 | TLR4 (0.33) | — | |
| SCHEMBL4594103 | 0.58 | — | — | |
| SCHEMBL8767836 | 0.58 | CA12 (0.32) | — | |
| SCHEMBL4587412 | 0.55 | — | — | |
| SCHEMBL4587401 | 0.55 | — | — | |
| SCHEMBL27566501 | 0.54 | — | — | |
| SCHEMBL12693418 | 0.53 | — | — | |
| SCHEMBL14000797 | 0.53 | — | — | |
| SCHEMBL14533325 | 0.53 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11976018-B2 | Diamine compound, method for manufacturing the same, and applications thereof | DAXIN MATERIALS CORP. (TW) | 2024-05-07 | — | — | US | disclosed |